2,9,10-trimethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol

Details

• Internal ID: 17db5a05-4d12-46f4-bd09-3bc6884f8e44
• Taxonomy: Alkaloids and derivatives > Protoberberine alkaloids and derivatives
• IUPAC Name: 2,9,10-trimethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
• SMILES (Canonical): CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)O)OC
• SMILES (Isomeric): CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)O)OC
• InChI: InChI=1S/C21H25NO4/c1-12-14-5-6-18(24-2)21(26-4)16(14)11-22-8-7-13-9-17(23)19(25-3)10-15(13)20(12)22/h5-6,9-10,12,20,23H,7-8,11H2,1-4H3
• InChI Key: OBVLTWCOTSTMNM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₅NO₄
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.17835828 g/mol
• Topological Polar Surface Area (TPSA): 51.20 Ų
• XlogP: 3.20

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.45%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.41%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	93.92%	93.99%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.39%	91.11%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	92.44%	93.40%
CHEMBL2535	P11166	Glucose transporter	91.62%	98.75%
CHEMBL217	P14416	Dopamine D2 receptor	91.53%	95.62%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	90.41%	89.62%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	89.57%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.51%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.51%	95.56%
CHEMBL2056	P21728	Dopamine D1 receptor	89.32%	91.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.01%	92.94%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.41%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.77%	94.45%
CHEMBL2581	P07339	Cathepsin D	85.11%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	83.92%	97.21%
CHEMBL4208	P20618	Proteasome component C5	83.74%	90.00%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	83.19%	82.38%
CHEMBL4302	P08183	P-glycoprotein 1	81.93%	92.98%
CHEMBL1913	P09619	Platelet-derived growth factor receptor beta	81.86%	95.70%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.61%	90.71%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.34%	95.89%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	80.88%	89.05%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	80.41%	91.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.40%	97.09%
CHEMBL5747	Q92793	CREB-binding protein	80.11%	95.12%

Plants that contains it

• Corydalis ambigua
• Corydalis cava
• Corydalis heterocarpa
• Corydalis nobilis
• Corydalis orthopoda
• Corydalis solida
• Corydalis turtschaninovii

Cross-Links

• PubChem: 5316090
• LOTUS: LTS0119490
• wikiData: Q104667301